Geometry & MOs

Info

ID:	124148
PubChem CID:	50873524
Reduced:	SN2O6H26C29 (1)
Stoich.:	AB2C6D26E29 (1)
Weight, g/mol:	414.086056
ΔH_f, kcal/mol:	-129.65
Dipole, Da:	6.39
IP(EA), eV:	-8.77(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-methyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)OCC

DOS

IR

Vibrations